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Bai C, Yu H, Han S, et al. Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework. Inorg Chem. 2014;53(20):11213-20doi: 10.1021/ic501814q.
Bai, C., Yu, H., Han, S., Pan, S., Zhang, B., Wang, Y., Wu, H., & Yang, Z. (2014). Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework. Inorganic chemistry, 53(20), 11213-20. https://doi.org/10.1021/ic501814q
Bai, Chunyan, et al. "Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework." Inorganic chemistry vol. 53,20 (2014): 11213-20. doi: https://doi.org/10.1021/ic501814q
Bai C, Yu H, Han S, Pan S, Zhang B, Wang Y, Wu H, Yang Z. Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework. Inorg Chem. 2014 Oct 20;53(20):11213-20. doi: 10.1021/ic501814q. Epub 2014 Sep 26. PMID: 25260147.
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Inorg Chem. 2014 Oct 20;53(20):11213-20. doi: 10.1021/ic501814q. Epub 2014 Sep 26.

Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework.

Inorganic chemistry

Chunyan Bai, Hongwei Yu, Shujuan Han, Shilie Pan, Bingbing Zhang, Ying Wang, Hongping Wu, Zhihua Yang

Affiliations

  1. Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.

PMID: 25260147 DOI: 10.1021/ic501814q

Abstract

The perovskite structure is a good candidate for the design of functional materials. On the basis of the combination of B6O13 groups and XM6 (X = Cl, Br; M = alkali metals) octahedra, three new perovskite-related crystals Na3B6O10Cl, RbNa2B6O10Cl, and RbNa2B6O10Br have been synthesized by a high-temperature solution method for the first time. Na3B6O10Cl and RbNa2B6O10Cl are isostructural and crystallize in the noncentrosymmetric (NCS) space group P212121 (No. 19), while RbNa2B6O10Br belongs to the centrosymmetric (CS) space group Pnma (No. 62). The phenomenon that Cl-containing borates are not isostructural with corresponding Br-containing borates is extremely rare among borates. Detailed structure analysis suggests that the difference is owing to the effect of the halogen (Cl, Br) on the symmetry of the flexible perovskite-related framework. In addition, thermal analyses, IR spectroscopy, the UV-vis-NIR diffuse reflectance spectrum, and first-principles theoretical studies have also been performed on the three compounds.

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